SC12 Home > SC12 Schedule > SC12 Presentation - Quantum Mechanical Simulations of Crystalline Helium Using High Performance Architectures

SCHEDULE: NOV 10-16, 2012

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Quantum Mechanical Simulations of Crystalline Helium Using High Performance Architectures

SESSION: Research Poster Reception

EVENT TYPE: Posters and Electronic Posters

TIME: 5:15PM - 7:00PM

SESSION CHAIR: Torsten Hoefler

AUTHOR(S):David D. Jenkins, Robert J. Hinde, Gregory D. Peterson

ROOM:East Entrance

ABSTRACT:
With the rapid growth of emerging high performance architectures comes the ability for the acceleration of computational science applications. In this work, we present our approach to accelerating a Quantum Monte Carlo method called Variational Path Integral. Using many microprocessors and graphics processing units, this VPI implementation simulates the interactions of helium atoms in a crystalized structure at near zero temperature. This work uses an improved master-worker approach to increase scalability from tens to thousands of cores on the Kraken supercomputer. A single node of the Keeneland GPU cluster delivers performance equivalent to ten nodes of Kraken. High performance computing enables us to simulate larger crystals and many more simulations than were previously possible.

Chair/Author Details:

Torsten Hoefler (Chair) - ETH Zurich

David D. Jenkins - University of Tennessee, Knoxville

Robert J. Hinde - University of Tennessee, Knoxville

Gregory D. Peterson - University of Tennessee, Knoxville

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Quantum Mechanical Simulations of Crystalline Helium Using High Performance Architectures

SESSION: Research Poster Reception

EVENT TYPE:

TIME: 5:15PM - 7:00PM

SESSION CHAIR: Torsten Hoefler

AUTHOR(S):David D. Jenkins, Robert J. Hinde, Gregory D. Peterson

ROOM:East Entrance

ABSTRACT:
With the rapid growth of emerging high performance architectures comes the ability for the acceleration of computational science applications. In this work, we present our approach to accelerating a Quantum Monte Carlo method called Variational Path Integral. Using many microprocessors and graphics processing units, this VPI implementation simulates the interactions of helium atoms in a crystalized structure at near zero temperature. This work uses an improved master-worker approach to increase scalability from tens to thousands of cores on the Kraken supercomputer. A single node of the Keeneland GPU cluster delivers performance equivalent to ten nodes of Kraken. High performance computing enables us to simulate larger crystals and many more simulations than were previously possible.

Chair/Author Details:

Torsten Hoefler (Chair) - ETH Zurich

David D. Jenkins - University of Tennessee, Knoxville

Robert J. Hinde - University of Tennessee, Knoxville

Gregory D. Peterson - University of Tennessee, Knoxville

Add to iCal  Click here to download .ics calendar file

Add to Outlook  Click here to download .vcs calendar file

Add to Google Calendarss  Click here to add event to your Google Calendar